Fresh attempt to create a release version 1.0.0.

README.md

@@ -1,9 +1,10 @@
 # cif_ed
 
-Data names for describing electron diffraction. These are presented here as a CIF extension dictionary, but in practice many are equally applicable to X-ray or neutron studies, and so this draft, when approved by COMCIFS, might best be incorporated into the existing core CIF and possibly imgCIF dictionaries.
+Data names for describing electron diffraction. These are presented here as a CIF extension dictionary, although in practice many are equally applicable to X-ray or neutron studies. This draft, when approved by COMCIFS, will be incorporated periodically into the existing core CIF and possibly imgCIF dictionaries.
 
 This project is best seen as an opportunity to focus on the new items required in the context of electron crystallography, and to invite content review from the user community.
 
+The first set of data definitions incorporated into the core CIF dictionary are those in **release 1.0.0** of 18 February 2025. Any definitions in cif_ed.dic with latest revision later than that date should be considered work in progress, and should not be used in production software.
 
 
 This GitHub project contains:

cif_ed.dic

@@ -12,10 +12,10 @@ data_CIF_ED
 
     _dictionary.title            CIF_ED
     _dictionary.class            Instance
-    _dictionary.version          0.1.0-dev
+    _dictionary.version          1.0.0
     _dictionary.date             2025-02-18
     _dictionary.uri
-        https://raw.githubusercontent.com/COMCIFS/cif_ed/main/cif_ed.dic
+        https://raw.githubusercontent.com/COMCIFS/cif_ed/1.0.0/cif_ed.dic
     _dictionary.ddl_conformance  4.2.0
     _dictionary.namespace        CifCore
     _description.text
@@ -843,69 +843,17 @@ save_
 ;
        Initial draft of new or revised (from coreCIF) data definitions
        following nanED round robin project. (B. McMahon)
-
-       Updated definition of items in category REFINE_DIFF to modify
-       units for electron diffraction. (bm, after Lukas Palatinus)
-
-       New item _refine_ls.abs_structure_z-score introduced. (bm/Lukas)
-
-       New items _diffrn_radiation.illumination_mode,
-       _diffrn_measurement.tracking and *_method added; new examples for
-       _diffrn_source.size. (bm, after Marco Santucci)
-
-       Changed _type.source of _diffrn.precession_angle_su to 'Related'.
-
-       Removed inappropriate _enumeration.default from
-       _diffrn_measurement.method_precession, _diffrn_measurement.integration,
-       _diffrn_measurement.tracking, _diffrn_radiation.illumination_mode,
-       _refine.diffraction_theory
-
-       Changed name of Head category in line with evolving COMCIFS standards.
-
-       Updated the CIF_CORE dictionary import statement with the new Head
-       category name.
 ;
-         0.1.0-dev                2025-02-18
+         1.0.0                    2025-02-18
 ;
-       Changed the version number to 0.1.0-dev to indicate this is a
-       development version. Still under discussion as to whether this will
-       finish as a standalone dictionary, or simply provide a development
-       container for new items that will go into the core (and/or imgCIF).
-
-       Changed _diffrn_measurement.tracking to
-       _diffrn_measurement.sample_tracking and
-       _diffrn_measurement.tracking_method to
-       _diffrn_measurement.sample_tracking_method. (bm, after Lukas Palatinus)
-
-       Added _computing.sample_tracking,
-       _diffrn_detector.ed_calibration_constant,
-       _diffrn_source.convergence_angle,
-       _diffrn_source.ed_probe_type. (bm, after Ashwin Suresh)
-
-       Added (based on the PDBx/mmCIF dictionary)
-       _exptl_crystal.mosaic_block_size, _exptl_crystal.mosaic_method,
-       _exptl_crystal.mosaicity and related *_su terms.
-
-       Added _refine_ls.sample_thickness and *_su,
-       _refine_ls.sample_shape_expression and _refine_ls.sample_shape_details.
-       (bm, after Ashwin and Lukas)
-
-       Added _diffrn_detector.distance_sample. (bm)
-
-       Renamed _diffrn.precession_angle to _diffrn.precession_semi_angle
-       (and corresponding *_su term).
-
-       Following community consultation (via Discord): renamed
-       _diffrn_source.ed_probe_type as
-       _diffrn_source.ed_diffracting_area_selection and updated
-       definition and enumeration list; added
-       _refine.diffraction_theory_details; renamed
-       _diffrn_measurement.integration as _diffrn_measurement.rotation_mode
-       and revised enumeration list.
-
-       Introduced _refine_diff.potential_max, *_min, *_RMS and associated
-       SU values (replacing updated REFINE_DIFF density terms) to reflect
-       correct practice in ED. (bm/Lukas)
+       Initial release version of this dictionary cif_ed.dic for electron
+       diffraction, developed by the NanED standards committee and with
+       input from the IUCr Commission on Electron Crystallography.
 
-       Added DICTIONARY_AUTHOR loop.
+       This dictionary is not intended to be a standalone dictionary,
+       but rather a platform to allow focussed development of items
+       specific to electron diffraction, prior to incorporation in the
+       core CIF or other relevant COMCIFS-managed CIF dictionaries. Some
+       of the definitions in this dictionary may be copies of core
+       definitions with extended attributes.
 ;

draft_new_items.dic

@@ -11,7 +11,7 @@ data_DRAFT_NEW_ITEMS
     _dictionary.version          0.0.10
     _dictionary.date             2025-02-18
     _dictionary.uri
-       https://raw.githubusercontent.com/COMCIFS/cif_ed/main/draft_new_items.dic
+      https://raw.githubusercontent.com/COMCIFS/cif_ed/1.0.0/draft_new_items.dic
     _dictionary.ddl_conformance  4.2.0
     _dictionary.namespace        CifCore
     _description.text